2-Methyl-2-propanyl (3-aminopropyl)[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]carbamate
[CAS 68076-39-1]

Identification

• Name: 2-Methyl-2-propanyl (3-aminopropyl)[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]carbamate
• Synonyms: BIS-BOC-SPERMIDINE; InChI=1/C17H35N3O4/c1-16(2,3)23-14(21)19-11-7-8-12-20(13-9-10-18)15(22)24-17(4,5)6/h7-13,18H2,1-6H3,(H,19,21)/f/h19H; N-(3-aminopropyl)-N,N'-bis(tert-butoxycarbonyl)butane-1,4-diamine
• Molecular Formula: C₁₇H₃₅N₃O₄
• Molecular Weight: 345.48
• CAS Registry Number: 68076-39-1
• SMILES: CC(C)(C)OC(=O)NCCCCN(CCCN)C(=O)OC(C)(C)C
• InChI: 1S/C17H35N3O4/c1-16(2,3)23-14(21)19-11-7-8-12-20(13-9-10-18)15(22)24-17(4,5)6/h7-13,18H2,1-6H3,(H,19,21)
• InChIKey: AGIUPQUTLBAVDK-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 462.0±38.0°C at 760 mmHg (Cal.)
• Flash point: 233.2±26.8°C (Cal.)

References

• (1): Chris J. Hamilton, Alan H. Fairlamb and Ian M. Eggleston. Regiocontrolled synthesis of the macrocyclic polyamine alkaloid (±)-lunarine, a time-dependent inhibitor of trypanothione reductase, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 1115.